(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid

C12H16N2O5S — CID 107829842

IUPAC(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid
SMILESCSCc1ccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)o1
InChIInChI=1S/C12H16N2O5S/c1-20-6-7-2-4-9(19-7)11(16)14-8(12(17)18)3-5-10(13)15/h2,4,8H,3,5-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyYRYAFEJYUIVSQY-MRVPVSSYSA-N
MW300.34 g/mol
LogP0.59
Rot. Bonds8

About (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 107829842) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid
PubChem CID107829842
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid
SMILESCSCc1ccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)o1
InChIInChI=1S/C12H16N2O5S/c1-20-6-7-2-4-9(19-7)11(16)14-8(12(17)18)3-5-10(13)15/h2,4,8H,3,5-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyYRYAFEJYUIVSQY-MRVPVSSYSA-N
XLogP0.59
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 43358779
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
(2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 61172054
(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
CID 107835515
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113339313
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
(2R)-5-amino-2-[(2-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid
CID 107830012
methyl 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoate
CID 113219425

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid (CID 107829842) is (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid is CSCc1ccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)o1.
What is the InChIKey of (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is YRYAFEJYUIVSQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-20-6-7-2-4-9(19-7)11(16)14-8(12(17)18)3-5-10(13)15/h2,4,8H,3,5-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).